1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine

C16H29N3O2 — CID 77084666

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)15-11-13(17-18-15)12-19-7-5-14(6-8-19)21-10-9-20-4/h11,14H,5-10,12H2,1-4H3,(H,17,18)
InChIKeyRVUPYZZGFPZZTD-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.33
Rot. Bonds6

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine (PubChem CID 77084666) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
PubChem CID77084666
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)15-11-13(17-18-15)12-19-7-5-14(6-8-19)21-10-9-20-4/h11,14H,5-10,12H2,1-4H3,(H,17,18)
InChIKeyRVUPYZZGFPZZTD-UHFFFAOYSA-N
XLogP2.33
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-1,4-oxazepan-6-ol
CID 70727587
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4,4-difluoro-1-piperidinyl)-3-pyrrolidinol
CID 56899816
(1R*,3S*)-7-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 70768642
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72934641
4-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]piperazine-1-sulfonamide
CID 77088565
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
1-[(6S)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 95714757
(2R)-2-(3-methoxypropyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 96369008
(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96376848
2-{1-isobutyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 45242791

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine (CID 77084666) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
The InChIKey is RVUPYZZGFPZZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,3)15-11-13(17-18-15)12-19-7-5-14(6-8-19)21-10-9-20-4/h11,14H,5-10,12H2,1-4H3,(H,17,18).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine has a molecular weight of 295.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 77084666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).